N-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

C21H19ClN4O3S — CID 53158254

IUPACN-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
SMILESCOc1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc3nnc(C)n3c2)cc1
InChIInChI=1S/C21H19ClN4O3S/c1-15-23-24-21-12-11-20(14-25(15)21)30(27,28)26(18-7-5-17(22)6-8-18)13-16-3-9-19(29-2)10-4-16/h3-12,14H,13H2,1-2H3
InChIKeyQZWFDFAIFZCBQR-UHFFFAOYSA-N
MW442.93 g/mol
LogP4.10
Rot. Bonds6

About N-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

N-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide (PubChem CID 53158254) has the molecular formula C21H19ClN4O3S and a molecular weight of 442.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
PubChem CID53158254
Molecular FormulaC21H19ClN4O3S
Molecular Weight442.93 g/mol
Exact Mass442.09
IUPAC NameN-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
SMILESCOc1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc3nnc(C)n3c2)cc1
InChIInChI=1S/C21H19ClN4O3S/c1-15-23-24-21-12-11-20(14-25(15)21)30(27,28)26(18-7-5-17(22)6-8-18)13-16-3-9-19(29-2)10-4-16/h3-12,14H,13H2,1-2H3
InChIKeyQZWFDFAIFZCBQR-UHFFFAOYSA-N
XLogP4.10
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.93
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide with MolForge

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 53158107
N-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 53158204
N-(4-chlorophenyl)-N-(cyanomethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 53158252
N-(4-ethoxyphenyl)-N-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 53158136
N-[(4-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 3959248
4-chloro-N-[(3-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46021814
N-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 35766206
4-chloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2533151
3-chloro-N-[(3-chlorophenyl)methyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 46022998
N,N-dibenzyl-2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 22193700
N-benzyl-4-chloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 46021764
N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 42841700

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The IUPAC name of N-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide (CID 53158254) is N-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide is COc1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc3nnc(C)n3c2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The InChIKey is QZWFDFAIFZCBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3S/c1-15-23-24-21-12-11-20(14-25(15)21)30(27,28)26(18-7-5-17(22)6-8-18)13-16-3-9-19(29-2)10-4-16/h3-12,14H,13H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
N-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide has a molecular weight of 442.93 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide is sourced from PubChem (CID 53158254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).